N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]propan-1-amine

C12H19NOS — CID 114748868

IUPACN-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cscc1C1CCOC1
InChIInChI=1S/C12H19NOS/c1-2-4-13-6-11-8-15-9-12(11)10-3-5-14-7-10/h8-10,13H,2-7H2,1H3
InChIKeyLKPMJUNKXZRYSR-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.75
Rot. Bonds5

About N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]propan-1-amine

N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]propan-1-amine (PubChem CID 114748868) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]propan-1-amine
PubChem CID114748868
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cscc1C1CCOC1
InChIInChI=1S/C12H19NOS/c1-2-4-13-6-11-8-15-9-12(11)10-3-5-14-7-10/h8-10,13H,2-7H2,1H3
InChIKeyLKPMJUNKXZRYSR-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]ethanamine
CID 114749163
2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206270
N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65329120
N-[[4-ethyl-2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 114206721
N-[2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 65329770
N-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62484361
N-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183995
N-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65334784
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
N-[(4-chlorothiophen-3-yl)methyl]oxolan-3-amine
CID 126997872
N-[(4-cyclopentylthiophen-3-yl)methyl]cyclopropanamine
CID 114749047
N-[[3-ethoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61311100

Frequently Asked Questions

What is the IUPAC name of N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]propan-1-amine (CID 114748868) is N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]propan-1-amine is CCCNCc1cscc1C1CCOC1.
What is the InChIKey of N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]propan-1-amine?
The InChIKey is LKPMJUNKXZRYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-4-13-6-11-8-15-9-12(11)10-3-5-14-7-10/h8-10,13H,2-7H2,1H3.
What are the key properties of N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]propan-1-amine?
N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]propan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 114748868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).